SCHEMBL12955234

SCHEMBL12955234

CCCC1CCC(CNC(=O)c2cn(C)c3cccc(C(F)(F)F)c23)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.59
▸ IL1B P01584 17/20 0.59
▸ MAP2K1 Q02750 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1019186 0.90 P2RX7 (0.61) P2RX7IL1B
SCHEMBL1018175 0.82 P2RX7 (0.68) P2RX7IL1B
SCHEMBL1020307 0.80 P2RX7 (0.66) P2RX7IL1B
SCHEMBL1020535 0.78 P2RX7 (0.52) P2RX7IL1B
SCHEMBL1020208 0.77 P2RX7 (0.81) P2RX7IL1B
SCHEMBL12955285 0.76 P2RX7 (0.64) P2RX7IL1B
SCHEMBL1020145 0.76 P2RX7 (0.51) P2RX7IL1B
SCHEMBL1020294 0.76 P2RX7 (0.51) P2RX7IL1B
SCHEMBL1020902 0.75 P2RX7 (0.53) P2RX7IL1B
SCHEMBL1019257 0.75 P2RX7 (0.53) P2RX7IL1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105164-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-01-12 — — EP disclosed
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